[(2S)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] nonadecanoate

Systemtic Name: [(2S)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] nonadecanoate Openeye Name: [(1S)-1-[[(9Z,12Z)-heptadeca-9,12-dienoyl]oxymethyl]-2-hydroxy-ethyl] nonadecanoate CAS Name: nonadecanoic acid [(2S)-1-hydroxy-3-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxypropan-2-yl] nonadecanoate Traditional Name: nonadecanoic acid [(1S)-1-[[(9Z,12Z)-heptadeca-9,12-dienoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C39H72O5 MolecularWeight: 620.98598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCC

InChI

InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,37,40H,3-9,11,13-15,17,19-36H2,1-2H3/b12-10-,18-16-/t37-/m0/s1